text: /*
   #
   # UFFBAPS - Unified Force Field for Binding And Protein Stability
   # Copyright (C) 2010 Jens Erik Nielsen & Chresten Soendergaard
   #
   # This program is free software: you can redistribute it and/or modify
   # it under the terms of the GNU General Public License as published by
   # the Free Software Foundation, either version 3 of the License, or
   # (at your option) any later version.
   #
   # This program is distributed in the hope that it will be useful,
   # but WITHOUT ANY WARRANTY; without even the implied warranty of
   # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
   # GNU General Public License for more details.
   #
   # You should have received a copy of the GNU General Public License
   # along with this program.  If not, see <http://www.gnu.org/licenses/>.
   #
   # Contact information: 
   # Email: Jens.Nielsen_at_gmail.com
   # Normal mail:
   # Jens Nielsen
   # SBBS, Conway Institute
   # University College Dublin
   # Dublin 4, Ireland
   */
  #ifndef TARGETS_H
  #define TARGETS_H
  #include "method.h"
  #include <iostream>
  
  
  
  using namespace std;
  
  class Targets:  Method{
  
   public:
    Targets(FILE * reporter, string dataset);
    ~Targets();
    
    float get_mlogKi(string key);
    float get_G(string key);
    float get_resolution(string key);
    float get_no_rotor(string key);
    int find_key(string key);
  
    float get_decoy_G(string key, float rmsd);
    float get_rmsd(string key, int decoy_no);
  
  
   private:
  
    vector<string> keys;
    vector<float> mlogKis;
    vector<float> Gs;
    vector<float> resolutions;
    vector<int> no_rotors;
  
    void read_file_wang(string filename);
    void read_file_pdbbind(string filename);
    void read_file_fictive(string filename);
  
    void writeDescription(FILE * reporter);
  
  
  
    float T,R,log_conversion;
  
  
  };
  
  #endif
  